PCIDB

KNApSAcK Metabolite C00031220

Metabolite

KNApSAcK Entry

id C00031220
Name Rotundioside R / (-)-Rotundioside R
CAS RN 343255-04-9
Standard InChI InChI=1S/C49H82O18/c1-21-31(54)34(57)37(60)41(62-21)66-39-36(59)33(56)26(19-50)64-43(39)67-38-35(58)32(55)22(2)63-42(38)65-30-12-13-46(7)27(45(30,5)6)11-14-47(8)40(46)25(61-10)15-23-24-16-44(3,4)28(52)18-49(24,20-51)29(53)17-48(23,47)9/h15,21-22,24-43,50-60H,11-14,16-20H2,1-10H3/t21-,22+,24-,25+,26+,27-,28+,29+,30-,31+,32-,33+,34-,35-,36-,37+,38+,39+,40+,41-,42-,43-,46-,47+,48+,49+/m0/s1
Standard InChI (Main Layer) InChI=1S/C49H82O18/c1-21-31(54)34(57)37(60)41(62-21)66-39-36(59)33(56)26(19-50)64-43(39)67-38-35(58)32(55)22(2)63-42(38)65-30-12-13-46(7)27(45(30,5)6)11-14-47(8)40(46)25(61-10)15-23-24-16-44(3,4)28(52)18-49(24,20-51)29(53)17-48(23,47)9/h15,21-22,24-43,50-60H,11-14,16-20H2,1-10H3

Cluster

Phytochemical cluster No. 51
KCF-S cluster No. 11

Link

ChEMBL

By standard InChI
By standard InChI Main Layer

KEGG

By LinkDB

CTD

By CAS RN

Species

Summary

Plant class

class name count
asterids 1

Family

family name count
Apiaceae 1

List (1)

* NCBI
KNApSAcK organism *ID *family *plant class *kingdom
Bupleurum rotundifolium 90446 Apiaceae asterids Viridiplantae